Information card for entry 7040659

Structure parameters

• Formula: C30 H42 Cl N2 P Ru
• Calculated formula: C30 H42 Cl N2 P Ru
• SMILES: [Ru]123456(Cl)([N](c7ccc(cc7)C)=P(N1c1ccc(cc1)C)(CC)CC)[c]1([c]2([c]6([c]5([c]4([c]31C)C)C)C)C)C
• Title of publication: The half-sandwich 18- and 16-electron arene ruthenium iminophosphonamide complexes.
• Authors of publication: Peganova, Tat'yana A.; Sinopalnikova, Iana S.; Peregudov, Alexander S.; Fedyanin, Ivan V.; Demonceau, Albert; Ustynyuk, Nikolai A.; Kalsin, Alexander M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 17030 - 17041
• a: 9.89 ± 0.003 Å
• b: 36.718 ± 0.009 Å
• c: 8.509 ± 0.002 Å
• α: 90°
• β: 113.639 ± 0.007°
• γ: 90°
• Cell volume: 2830.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No